K284-4660 Screening compound: 4-({4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

K284-4660 Screening compound: 4-({4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
K284-4660 Screening compound: 4-({4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4660
4-({4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-4660

Molecular Formula

C34H39N5O5S2 (C34 H39 N5 O5 S2)

Compound Name

4-({4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

IUPAC name

4-({4-oxo-2-[({[2-(4-sulfamoylphenyl)ethyl]carbamoyl}methyl)sulfanyl]-34-dihydroquinazolin-3-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide

SMILES

NS(c1ccc(CCNC(CSC(N2CC(CC3)CCC3C(NCCc3ccccc3)=O)=Nc(cccc3)c3C2=O)=O)cc1)(=O)=O

InChI

InChI=1S/C34H39N5O5S2/c35-46(43,44)28-16-12-25(13-17-28)18-20-36-31(40)23-45-34-38-30-9-5-4-8-29(30)33(42)39(34)22-26-10-14-27(15-11-26)32(41)37-21-19-24-6-2-1-3-7-24/h1-9,12-13,16-17,26-27H,10-11,14-15,18-23H2,(H,36,40)(H,37,41)(H2,35,43,44)

InChI Key

MPLOMWYBILTLPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

661.85

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.84

Polar Surface Area

125.134

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

K284-4660 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-4660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4660?
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What is the minimum amount of K284-4660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4660
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K284-4660 available by request